N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C21H24N4O2 — CID 131937224

IUPACN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C21H24N4O2/c1-23(14-17-10-13-24(15-17)18-6-3-2-4-7-18)21(26)20-9-8-19(27-20)16-25-12-5-11-22-25/h2-9,11-12,17H,10,13-16H2,1H3
InChIKeyNGELCSSRLZISFI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 131937224) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID131937224
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C21H24N4O2/c1-23(14-17-10-13-24(15-17)18-6-3-2-4-7-18)21(26)20-9-8-19(27-20)16-25-12-5-11-22-25/h2-9,11-12,17H,10,13-16H2,1H3
InChIKeyNGELCSSRLZISFI-UHFFFAOYSA-N
XLogP3.12
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43356187
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-benzyl-N-(4-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55646940
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 114680093

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 131937224) is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CN(CC1CCN(c2ccccc2)C1)C(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is NGELCSSRLZISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23(14-17-10-13-24(15-17)18-6-3-2-4-7-18)21(26)20-9-8-19(27-20)16-25-12-5-11-22-25/h2-9,11-12,17H,10,13-16H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).